2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C69H56ClF6N9O10S6 — CID 157136999

IUPAC2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3S(C)(=O)=O)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O4S2.C23H18F3N3O4S2.C23H18F3N3O2S2/c1-25-33(30,31)21-6-4-3-5-18(21)16-8-11-19-20(13-16)27-23(26-19)12-9-15-7-10-17(24)14-22(15)32(2,28)29;1-27-35(32,33)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)34(30,31)23(24,25)26;1-27-33(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)32-23(24,25)26/h3-14,25H,1-2H3,(H,26,27);2-14,27H,1H3,(H,28,29);2-14,27H,1H3,(H,28,29)/b12-9+;2*13-8+
InChIKeyAJSUSTDWZLYURP-AQTOZCECSA-N
MW1513.10 g/mol
LogP14.89
Rot. Bonds18

About 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 157136999) has the molecular formula C69H56ClF6N9O10S6 and a molecular weight of 1513.10 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID157136999
Molecular FormulaC69H56ClF6N9O10S6
Molecular Weight1513.10 g/mol
Exact Mass1511.21
IUPAC Name2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3S(C)(=O)=O)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O4S2.C23H18F3N3O4S2.C23H18F3N3O2S2/c1-25-33(30,31)21-6-4-3-5-18(21)16-8-11-19-20(13-16)27-23(26-19)12-9-15-7-10-17(24)14-22(15)32(2,28)29;1-27-35(32,33)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)34(30,31)23(24,25)26;1-27-33(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)32-23(24,25)26/h3-14,25H,1-2H3,(H,26,27);2-14,27H,1H3,(H,28,29);2-14,27H,1H3,(H,28,29)/b12-9+;2*13-8+
InChIKeyAJSUSTDWZLYURP-AQTOZCECSA-N
XLogP14.89
TPSA292.83 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001513.10
LogP ≤ 514.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 123523292
2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 123610507
5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 123921898
2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 157346210
2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 157398535
2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157548857
2-[2-[(E)-2-(5-bromo-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157644328
2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[5-methyl-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157905502
2-[2-[2-[2,5-bis(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(4-chloro-2-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158077918
2-[2-[2-(4-chloro-2-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[5-methyl-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158121534
2-[2-[2-(2-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;N-[2-[2-[(E)-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 158151924
2-[2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[5-methyl-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158240920

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 157136999) is 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3S(C)(=O)=O)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is AJSUSTDWZLYURP-AQTOZCECSA-N. The full InChI is InChI=1S/C23H20ClN3O4S2.C23H18F3N3O4S2.C23H18F3N3O2S2/c1-25-33(30,31)21-6-4-3-5-18(21)16-8-11-19-20(13-16)27-23(26-19)12-9-15-7-10-17(24)14-22(15)32(2,28)29;1-27-35(32,33)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)34(30,31)23(24,25)26;1-27-33(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)32-23(24,25)26/h3-14,25H,1-2H3,(H,26,27);2-14,27H,1H3,(H,28,29);2-14,27H,1H3,(H,28,29)/b12-9+;2*13-8+.
What are the key properties of 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1513.10 g/mol, XLogP of 14.89, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 157136999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).